PDB ligand accession: BEN
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: PXXJHWLDUBFPOL-UHFFFAOYSA-N
SMILES: [H]N=C(c1ccccc1)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: None
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 3DP3 | Download | Experimental | e3dp3A1 e3dp3B1 e3dp3C1 e3dp3E1 | Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like | LigPlot |
| 3DP1 | Download | Experimental | e3dp1B1 e3dp1D1 e3dp1E1 e3dp1F1 | Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like | LigPlot |
| 3DOY | Download | Experimental | e3doyA1 e3doyA1 e3doyB1 e3doyC1 e3doyE1 | Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like | LigPlot |
| 3CF9 | Download | Experimental | e3cf9B1 e3cf9C1 e3cf9E1 | Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like | LigPlot |
| 3DP0 | Download | Experimental | e3dp0A1 e3dp0B1 e3dp0C1 e3dp0E1 | Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like | LigPlot |
| 3DOZ | Download | Experimental | e3dozA1 e3dozA1 e3dozB1 e3dozC1 | Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like | LigPlot |
| 2GLL | Download | Experimental | e2gllA1 e2gllA1 e2gllB1 e2gllC1 e2gllD1 e2gllE1 e2gllF1 | Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like | LigPlot |
| 3B7J | Download | Experimental | e3b7jA1 e3b7jB1 e3b7jC1 e3b7jE1 e3b7jF1 | Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like | LigPlot |
| 3D04 | Download | Experimental | e3d04A1 e3d04C1 e3d04E1 e3d04F1 | Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like | LigPlot |
| 3CF8 | Download | Experimental | e3cf8A1 e3cf8B1 e3cf8C1 | Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like | LigPlot |
| 2GLP | Download | Experimental | e2glpA1 e2glpB1 e2glpC1 e2glpF1 | Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like | LigPlot |
| 3DP2 | Download | Experimental | e3dp2A1 e3dp2B1 e3dp2D1 e3dp2E1 | Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like | LigPlot |
| 2GLM | Download | Experimental | e2glmA1 e2glmB1 e2glmC1 e2glmE1 | Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like | LigPlot |
| 3ED0 | Download | Experimental | e3ed0A1 e3ed0B1 e3ed0D1 e3ed0E1 | Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like | LigPlot |